Pre-training Transformers for Molecular Property Prediction Using Reaction Prediction

6 July 2022

Papers citing "Pre-training Transformers for Molecular Property Prediction Using Reaction Prediction"

5 / 5 papers shown

Title
Enhancing Molecular Property Prediction via Mixture of Collaborative Experts Xu Yao Shuang Liang Songqiao Han Hailiang Huang 24 4 0 06 Dec 2023
OL-Transformer: A Fast and Universal Surrogate Simulator for Optical Multilayer Thin Film Structures Taigao Ma Haozhu Wang L. J. Guo AI4CE 6 1 0 19 May 2023
Pre-training Molecular Graph Representation with 3D Geometry Shengchao Liu Hanchen Wang Weiyang Liu Joan Lasenby Hongyu Guo Jian Tang 126 302 0 07 Oct 2021
Chemical-Reaction-Aware Molecule Representation Learning Hongwei Wang Weijian Li Xiaomeng Jin Kyunghyun Cho Heng Ji Jiawei Han Martin Burke 107 56 0 21 Sep 2021
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 181 1,778 0 02 Mar 2017